(2,6-Difluoropyridin-4-yl)boronic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.401816-16-8

CAS: 401816-16-8 Cat. No.: D290719 Molecular Weight: 158.90 EC Number: 816-376-1

GRADE & PURITY ≥97%

Synonyms

AKOS005063808 | MFCD04114289 | 2,6-difluoropyridine-4-boronic acid, AldrichCPR | A824963 | SY047779 | [2,6-bis(fluoranyl)pyridin-4-yl]boronic acid | (2,6-difluoropyridin-4-yl)boronic Acid | AS-39263 | BORONIC ACID, (2,6-DIFLUORO-4-PYRIDINYL)- | J-500608 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS005063808 | MFCD04114289 | 2, 6-difluoropyridine-4-boronic acid, AldrichCPR | A824963 | SY047779 | [2, 6-bis(fluoranyl)pyridin-4-yl]boronic acid | (2, 6-difluoropyridin-4-yl)boronic Acid | AS-39263 | BORONIC ACID, (2, 6-DIFLUORO-4-PYRIDINYL)- | J-500608 |

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B(C1=CC(=NC(=C1)F)F)(O)O
• IUPAC Name: (2,6-difluoropyridin-4-yl)boronic acid
• InChIKey: KMEJCVYIVUQTSP-UHFFFAOYSA-N
• INCHI: 1S/C5H4BF2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H
• Isomeric SMILES: B(C1=CC(=NC(=C1)F)F)(O)O
• Molecular Weight: 158.90
• Reaxy-Rn: 14217940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14217940&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl fluorides Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Organic metalloid salt - Azacycle - Organopnictogen compound - Organic salt - Organonitrogen compound - Organofluoride - Organoboron compound - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 158.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 159.03 Da
• Monoisotopic Mass: 159.03 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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